Crystallography Open Database

Information card for entry 1563902

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Coordinates	1563902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 Cl6 O8
Calculated formula	C25 H34 Cl6 O8
Title of publication	Quassinoids with Inhibitory Activities against Plant Fungal Pathogens from <i>Picrasma javanica</i>.
Authors of publication	Chen, Jian-Jun; Bai, Wei; Lu, Yu-Bo; Feng, Zi-Yun; Gao, Kun; Yue, Jian-Min
Journal of publication	Journal of natural products
Year of publication	2021
a	11.3919 ± 0.0005 Å
b	12.9423 ± 0.0006 Å
c	21.1734 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3121.8 ± 0.3 Å³
Cell temperature	280 ± 2 K
Ambient diffraction temperature	280 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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